UCSF

ZINC67043613

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 6.07 -30.3 1 7 0 94 344.396 5
Hi High (pH 8-9.5) 1.60 4.44 -56.26 0 7 -1 100 343.388 5
Lo Low (pH 4.5-6) 1.42 6.55 -51.45 2 7 1 95 345.404 5

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Analogs ( Draw Identity 99% 90% 80% 70% )

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